Molecule ID: mol14868
SMILES: CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C
InChI: InChI=1S/C15H24N2O/c1-6-17(7-2)10-14(18)16-15-12(4)8-11(3)9-13(15)5/h8-9H,6-7,10H2,1-5H3,(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | Datawarrior | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |
| 8.05 | QSARToolbox | 1 » 0 |